SCHEMBL4598359

SCHEMBL4598359

COc1ccc(OCc2ccccc2)c(OC)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.56
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MRGPRX4 Q96LA9 3/20 0.52
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ATM Q13315 1/20 0.51
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10597970 0.95 RXRA (0.54) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4599529 0.90 SMPD1 (0.54) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4600081 0.88 RXRA (0.54) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL13974895 0.88 RXRA (0.50) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL14882633 0.81 CTSV (0.53) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4849364 0.80 CA12 (0.63) RAB9AATMCA12CA1CA2
SCHEMBL5467535 0.79 PTGER1 (0.58) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL23536856 0.79 PTGER1 (0.60) RXRANPC1RAB9AMRGPRX4ATM
SCHEMBL29212751 0.79 CA12 (0.50) NPC1HPGDRAB9ASMN1; SMN2CA12
SCHEMBL855207 0.78 CTSV (0.54) RXRANPC1HPGDRAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
US-7138527-B2 Inflammatory, allergic and respiratory disorders; beta 2 adrenoceptors agonists; such as 5-(-2-((-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethyl)amino)propyl) -N-(2-methoxybenzyl)-1H-indole-2-carboxamide PFIZER INC. (US) 2006-11-21 US disclosed
EP-1556034-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2005-07-27 EP disclosed
US-20050085526-A1 Indole derivatives useful for the treatment of diseases BROWN ALAN D (GB) 2005-04-21 US disclosed
US-6844362-B2 Indole derivatives useful for the treatment of diseases PFIZER INC (US) 2005-01-18 US disclosed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed
US-20040116503-A1 Indole derivatives useful for the treatment of diseases PFIZER INC. 2004-06-17 US disclosed
WO-2004032921-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2004-04-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050085526-A1 Indole derivatives useful for the treatment of diseases IDO1, IDO2, INMT RXRA 3284/4885NPC1 1796/4885HPGD 74/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.